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- ChemComp-HC1: 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER -

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Basic information

EntryDatabase: PDB chemical components / ID: HC1
NameName: 2 iron/2 sulfur/5 carbonyl/2 water inorganic cluster

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Chemical information

Composition
Formula: C5H8Fe2O7S2 / Number of atoms: 24 / Formula weight: 355.933 / Formal charge: 0
Others

1feh

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HC1 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1FEH / Ambiguous flag: Yes
History
Create componentAug 23, 1999
Modify descriptorSep 23, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385O.O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)C2=O)C=O
OpenEye OEToolkits 2.0.7C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2]

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SMILES CANONICAL

CACTVS 3.385O.O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)C2=O)C=O
OpenEye OEToolkits 2.0.7C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(C=O)[OH2])(C=O)[OH2]

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InChI

InChI 1.06InChI=1S/4CHO.CO.2Fe.2H2O.2S/c5*1-2;;;;;;/h4*1H;;;;2*1H2;;

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InChIKey

InChI 1.06DXKOXSKJHMBSFW-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-1c4a:
BINDING OF EXOGENOUSLY ADDED CARBON MONOXIDE AT THE ACTIVE SITE OF THE FE-ONLY HYDROGENASE (CPI) FROM CLOSTRIDIUM PASTEURIANUM

PDB-1feh:
FE-ONLY HYDROGENASE FROM CLOSTRIDIUM PASTEURIANUM

PDB-8a5e:
Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Acetobacterium woodii in the reduced state

PDB-8a6t:
Cryo-EM structure of the electron bifurcating Fe-Fe hydrogenase HydABC complex from Thermoanaerobacter kivui in the reduced state

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